PhD student in CCME, Peking University
Interested in retrosynthesis planning, or any other cool stuffs in AI&Chemistry.
Highlights
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RetroRanker
RetroRanker PublicRetroRanker, a ranking model built upon the graph neural network to mitigate the frequency bias in predictions of existing retrosynthesis models through re-ranking.
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Retro-BLEU
Retro-BLEU PublicRetro-BLEU is designed to assess the quality of generated retrosynthesis routes.
Python 1
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Sterimol
Sterimol PublicForked from patonlab/Sterimol
Calculate Sterimol Parameters from Sructure Input/Output Files
Python
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